#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1k2h s SER 2 N 0.00 5.05 0.18 1.61 1.04 -1.26 -4.88 113.70 115.44 1k2h s SER 2 Ca 0.00 0.93 -0.09 0.00 0.48 0.00 0.00 55.95 57.27 1k2h s SER 2 Cb 0.00 -1.61 0.06 0.00 0.10 0.00 0.00 66.02 64.57 1k2h s SER 2 CO 0.00 -1.56 1.63 -0.33 0.98 0.00 0.00 173.24 173.96 1k2h h GLU 3 N -0.78 1.07 -0.29 4.02 5.08 -2.06 -1.84 114.58 119.78 1k2h h GLU 3 Ca -0.45 -0.35 -0.13 0.00 -1.00 0.00 0.00 59.36 57.42 1k2h h GLU 3 Cb 1.29 -0.09 -0.00 0.00 0.50 0.00 0.00 28.75 30.44 1k2h h GLU 3 CO 0.64 1.05 -0.35 -0.07 -1.00 0.00 0.00 179.01 179.29 1k2h h LEU 4 N 0.97 0.80 -0.88 1.33 4.07 -2.01 -3.01 115.31 116.58 1k2h h LEU 4 Ca 0.17 -0.49 -0.02 0.00 0.08 0.00 0.00 57.88 57.62 1k2h h LEU 4 Cb 0.58 -0.23 -0.04 0.00 1.08 0.00 0.00 40.66 42.05 1k2h h LEU 4 CO 0.03 1.13 0.47 -0.08 -1.08 0.00 0.00 178.44 178.91 1k2h h GLU 5 N 0.49 1.24 -1.00 1.13 4.81 -1.92 -2.27 114.58 117.06 1k2h h GLU 5 Ca 0.04 -0.15 0.01 0.00 -0.13 0.00 0.00 59.36 59.12 1k2h h GLU 5 Cb 0.93 -0.24 -0.05 0.00 0.63 0.00 0.00 28.75 30.02 1k2h h GLU 5 CO 0.08 0.91 0.65 1.15 -0.73 0.00 0.00 179.01 181.07 1k2h h THR 6 N 1.24 1.26 -0.91 0.32 2.02 -1.30 -2.17 112.91 113.37 1k2h h THR 6 Ca 0.31 -0.49 0.01 0.00 0.77 0.00 0.00 66.41 67.01 1k2h h THR 6 Cb 0.04 -0.20 -0.04 0.00 -1.74 0.00 0.00 68.15 66.21 1k2h h THR 6 CO -0.05 0.25 0.60 0.00 0.37 0.00 0.00 175.52 176.69 1k2h h ALA 7 N 1.36 1.33 -0.07 6.16 0.00 -1.28 -2.71 119.26 124.06 1k2h h ALA 7 Ca 0.36 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.21 1k2h h ALA 7 Cb -0.14 -0.37 -0.00 0.00 0.00 0.00 0.00 17.79 17.28 1k2h h ALA 7 CO -0.08 0.61 0.04 0.52 0.00 0.00 0.00 179.25 180.35 1k2h h MET 8 N 1.24 0.08 -0.97 0.00 2.07 -1.18 -2.28 114.93 113.88 1k2h h MET 8 Ca 0.33 -0.00 0.01 0.00 -2.07 0.00 0.00 59.70 57.97 1k2h h MET 8 Cb -0.13 -0.02 -0.05 0.00 -1.87 0.00 0.00 31.60 29.53 1k2h h MET 8 CO -0.07 0.05 0.64 1.49 1.07 0.00 0.00 176.91 180.10 1k2h h GLU 9 N 0.08 1.29 -0.87 1.72 4.81 -1.43 -2.51 114.58 117.67 1k2h h GLU 9 Ca 0.02 -0.08 -0.03 0.00 -0.13 0.00 0.00 59.36 59.15 1k2h h GLU 9 Cb -0.01 -0.29 -0.04 0.00 0.63 0.00 0.00 28.75 29.04 1k2h h GLU 9 CO -0.01 0.85 0.44 1.15 -0.73 0.00 0.00 179.01 180.71 1k2h h THR 10 N 1.32 1.26 -0.98 0.32 2.02 -1.17 -2.64 112.91 113.04 1k2h h THR 10 Ca 0.36 -0.71 0.01 0.00 0.77 0.00 0.00 66.41 66.84 1k2h h THR 10 Cb -0.15 0.13 -0.05 0.00 -1.74 0.00 0.00 68.15 66.34 1k2h h THR 10 CO -0.08 0.31 0.65 -0.07 0.37 0.00 0.00 175.52 176.70 1k2h h LEU 11 N 1.23 1.13 -0.61 2.58 3.38 -0.97 -2.47 115.31 119.59 1k2h h LEU 11 Ca 0.30 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.25 1k2h h LEU 11 Cb 0.09 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.53 1k2h h LEU 11 CO -0.04 0.82 0.40 0.40 0.09 0.00 0.00 178.44 180.10 1k2h h ILE 12 N 1.33 1.16 -1.00 1.22 2.04 -1.35 -2.43 117.51 118.49 1k2h h ILE 12 Ca 0.36 -0.31 0.01 0.00 1.00 0.00 0.00 64.86 65.92 1k2h h ILE 12 Cb -0.15 0.28 -0.05 0.00 -0.74 0.00 0.00 36.82 36.16 1k2h h ILE 12 CO -0.08 0.16 0.66 -1.13 0.00 0.00 0.00 178.15 177.76 1k2h h ASN 13 N 0.82 1.15 0.29 1.72 -1.24 -1.38 -2.32 115.58 114.61 1k2h h ASN 13 Ca 0.22 -0.03 -0.11 0.00 0.71 0.00 0.00 56.30 57.09 1k2h h ASN 13 Cb -0.08 -0.29 -0.01 0.00 0.73 0.00 0.00 38.32 38.67 1k2h h ASN 13 CO -0.05 0.84 -0.44 0.58 -1.29 0.00 0.00 177.43 177.07 1k2h h VAL 14 N 1.36 1.32 -0.90 2.57 2.07 -1.25 -2.55 116.25 118.87 1k2h h VAL 14 Ca 0.37 -1.57 0.13 0.00 0.82 0.00 0.00 66.70 66.45 1k2h h VAL 14 Cb -0.15 1.74 -0.07 0.00 -1.52 0.00 0.00 31.29 31.29 1k2h h VAL 14 CO -0.08 0.46 0.58 -0.26 0.02 0.00 0.00 177.57 178.29 1k2h h PHE 15 N 0.16 0.89 -0.38 1.57 0.04 -0.95 1.01 116.94 119.27 1k2h h PHE 15 Ca 0.01 0.03 0.02 0.00 2.80 0.00 0.00 57.97 60.82 1k2h h PHE 15 Cb 0.84 -0.28 -0.02 0.00 2.20 0.00 0.00 35.95 38.69 1k2h h PHE 15 CO 0.01 0.35 0.25 0.45 -0.60 0.00 0.00 178.31 178.78 1k2h h HIS 16 N 0.77 0.43 0.08 -0.55 3.86 -1.43 1.30 115.15 119.61 1k2h h HIS 16 Ca 0.44 0.01 0.02 0.00 -1.16 0.00 0.00 60.37 59.69 1k2h h HIS 16 Cb 0.61 -0.14 -0.05 0.00 1.06 0.00 0.00 27.41 28.89 1k2h h HIS 16 CO -0.00 0.26 -0.37 0.00 0.86 0.00 0.00 177.93 178.68 1k2h h ALA 17 N 1.77 -0.62 -0.03 2.45 0.00 0.11 2.43 119.26 125.37 1k2h h ALA 17 Ca 0.15 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.01 1k2h h ALA 17 Cb 0.04 0.63 0.00 0.00 0.00 0.00 0.00 17.79 18.45 1k2h h ALA 17 CO -0.03 -0.91 -0.02 0.72 0.00 0.00 0.00 179.25 179.00 1k2h n HIS 18 N -5.44 0.00 -0.55 0.00 8.25 -0.96 -4.41 115.22 112.11 1k2h n HIS 18 Ca -0.06 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.40 1k2h n HIS 18 Cb 0.35 -0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.46 1k2h n HIS 18 CO 0.00 0.00 0.00 0.43 0.64 0.00 0.00 176.34 177.41 1k2h n SER 19 N 1.18 0.16 -0.11 0.41 7.64 0.44 -4.82 113.62 118.52 1k2h n SER 19 Ca 0.14 -0.74 -0.14 0.00 1.01 0.00 0.00 58.87 59.15 1k2h n SER 19 Cb 0.57 0.06 -0.03 0.00 -1.01 0.00 0.00 64.21 63.81 1k2h n SER 19 CO 0.00 0.00 0.00 1.23 -3.01 0.00 0.00 175.04 173.26 1k2h h GLY 20 N 0.00 0.97 1.91 0.23 0.00 0.43 -2.66 103.07 103.95 1k2h h GLY 20 Ca 0.00 -1.02 0.00 0.00 0.00 0.00 0.00 47.33 46.31 1k2h h GLY 20 CO 0.00 0.92 0.00 0.28 0.00 0.00 0.00 176.54 177.74 1k2h n LYS 21 N -4.09 0.07 -2.64 4.80 4.76 -1.25 -4.74 118.16 115.07 1k2h n LYS 21 Ca -0.03 0.10 -0.38 0.00 -2.87 0.00 0.00 58.31 55.13 1k2h n LYS 21 Cb 0.55 -1.50 -0.05 0.00 -1.84 0.00 0.00 35.03 32.19 1k2h n LYS 21 CO 0.00 0.00 0.00 -2.00 -1.37 0.00 0.00 177.40 174.03 1k2h s GLU 22 N -2.91 4.47 0.27 1.97 2.12 -1.00 -4.94 118.70 118.68 1k2h s GLU 22 Ca 0.13 1.48 -0.04 0.00 0.36 0.00 0.00 54.97 56.90 1k2h s GLU 22 Cb 0.15 -2.81 0.33 0.00 0.26 0.00 0.00 34.13 32.06 1k2h s GLU 22 CO 0.40 0.14 1.94 0.78 -0.54 0.00 0.00 175.26 177.98 1k2h h GLY 23 N 3.12 1.34 -5.29 -1.50 0.00 -1.85 -3.41 103.07 95.50 1k2h h GLY 23 Ca -0.47 -0.50 -0.61 0.00 0.00 0.00 0.00 47.33 45.75 1k2h h GLY 23 CO 0.65 0.48 -0.25 0.99 0.00 0.00 0.00 176.54 178.41 1k2h s ASP 24 N -6.16 6.69 0.44 0.19 1.01 -1.26 -4.97 116.67 112.61 1k2h s ASP 24 Ca -0.12 0.82 0.23 0.00 0.71 0.00 0.00 52.55 54.18 1k2h s ASP 24 Cb 0.18 -2.22 0.98 0.00 1.01 0.00 0.00 42.92 42.87 1k2h s ASP 24 CO 0.81 0.26 1.86 0.11 0.21 0.00 0.00 175.17 178.42 1k2h h LYS 25 N 5.30 0.00 -6.54 8.23 6.56 -1.83 -3.45 116.57 124.84 1k2h h LYS 25 Ca -0.49 0.00 -0.53 0.00 -1.06 0.00 0.00 60.65 58.57 1k2h h LYS 25 Cb 1.21 0.00 0.23 0.00 -0.57 0.00 0.00 32.23 33.09 1k2h h LYS 25 CO 0.65 0.24 -1.04 0.66 -2.06 0.00 0.00 179.45 177.90 1k2h n TYR 26 N -3.50 -2.47 0.00 -1.35 4.01 -1.26 -4.90 117.16 107.69 1k2h n TYR 26 Ca -0.00 0.17 0.00 0.00 -0.16 0.00 0.00 57.90 57.90 1k2h n TYR 26 Cb 0.40 -1.66 0.00 0.00 -0.31 0.00 0.00 39.34 37.78 1k2h n TYR 26 CO 0.00 0.00 0.00 1.17 -0.46 0.00 0.00 176.86 177.57 1k2h n LYS 27 N -0.46 0.00 -3.35 -0.72 3.00 -0.88 -4.91 118.16 110.84 1k2h n LYS 27 Ca 0.04 0.11 0.00 0.00 -0.00 0.00 0.00 58.31 58.45 1k2h n LYS 27 Cb 0.56 -0.74 0.00 0.00 0.00 0.00 0.00 35.03 34.85 1k2h n LYS 27 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.40 178.87 1k2h n LEU 28 N -0.35 0.00 -4.45 3.14 -0.00 -1.20 -4.72 117.00 109.43 1k2h n LEU 28 Ca 0.00 0.00 -0.41 0.00 -0.00 0.00 0.00 56.01 55.60 1k2h n LEU 28 Cb 0.00 0.00 0.01 0.00 -0.00 0.00 0.00 43.42 43.43 1k2h n LEU 28 CO 0.00 0.00 0.06 -1.54 -0.00 0.00 0.00 177.39 175.91 1k2h n SER 29 N 1.05 -0.92 0.04 1.45 3.41 -1.26 -2.32 113.62 115.07 1k2h n SER 29 Ca 0.00 0.88 -0.12 0.00 -0.26 0.00 0.00 58.87 59.37 1k2h n SER 29 Cb 0.00 -1.12 -0.07 0.00 -0.26 0.00 0.00 64.21 62.76 1k2h n SER 29 CO 0.00 0.00 0.00 0.11 -0.16 0.00 0.00 175.04 174.99 1k2h h LYS 30 N 0.73 -0.01 -0.95 4.33 1.57 -1.52 -0.06 116.57 120.65 1k2h h LYS 30 Ca -0.41 0.00 0.01 0.00 -1.87 0.00 0.00 60.65 58.38 1k2h h LYS 30 Cb 1.40 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 33.66 1k2h h LYS 30 CO 0.51 -0.01 0.63 0.87 -0.57 0.00 0.00 179.45 180.88 1k2h h LYS 31 N -0.02 1.25 -0.07 3.15 1.79 -1.76 -1.89 116.57 119.03 1k2h h LYS 31 Ca -0.00 -0.08 -0.14 0.00 -2.18 0.00 0.00 60.65 58.25 1k2h h LYS 31 Cb 0.01 -0.28 -0.01 0.00 -1.58 0.00 0.00 32.23 30.37 1k2h h LYS 31 CO 0.00 0.83 -0.59 1.49 -1.08 0.00 0.00 179.45 180.10 1k2h h GLU 32 N 1.29 0.22 -0.57 3.15 4.81 -1.80 -2.60 114.58 119.07 1k2h h GLU 32 Ca 0.35 -0.15 0.01 0.00 -0.13 0.00 0.00 59.36 59.44 1k2h h GLU 32 Cb -0.15 0.02 -0.03 0.00 0.63 0.00 0.00 28.75 29.22 1k2h h GLU 32 CO -0.07 0.74 0.38 1.25 -0.73 0.00 0.00 179.01 180.58 1k2h h LEU 33 N 0.16 0.66 -0.37 1.64 5.85 -0.22 -1.93 115.31 121.11 1k2h h LEU 33 Ca -0.00 -0.02 -0.16 0.00 0.84 0.00 0.00 57.88 58.54 1k2h h LEU 33 Cb 1.08 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 41.94 1k2h h LEU 33 CO 0.09 0.48 -0.38 0.50 -0.34 0.00 0.00 178.44 178.79 1k2h h LYS 34 N 0.78 0.90 -0.71 1.25 1.63 -1.30 -2.68 116.57 116.44 1k2h h LYS 34 Ca 0.21 -0.48 -0.07 0.00 -0.85 0.00 0.00 60.65 59.46 1k2h h LYS 34 Cb -0.09 0.02 -0.03 0.00 -0.60 0.00 0.00 32.23 31.53 1k2h h LYS 34 CO -0.05 1.13 0.17 0.22 -3.45 0.00 0.00 179.45 177.48 1k2h h ASP 35 N 0.71 1.08 0.21 4.20 1.82 -1.28 -0.18 116.42 122.97 1k2h h ASP 35 Ca 0.06 -0.23 -0.01 0.00 -0.39 0.00 0.00 57.03 56.45 1k2h h ASP 35 Cb 0.97 -0.28 0.00 0.00 0.68 0.00 0.00 39.33 40.70 1k2h h ASP 35 CO 0.09 1.03 -0.10 0.25 -1.61 0.00 0.00 179.24 178.90 1k2h h LEU 36 N 1.07 -0.24 -0.26 2.28 5.85 -1.31 -2.01 115.31 120.69 1k2h h LEU 36 Ca 0.22 -0.05 -0.20 0.00 0.84 0.00 0.00 57.88 58.69 1k2h h LEU 36 Cb 0.38 0.06 0.00 0.00 0.37 0.00 0.00 40.66 41.47 1k2h h LEU 36 CO 0.00 -0.10 -0.63 -0.07 -0.34 0.00 0.00 178.44 177.30 1k2h h LEU 37 N -0.36 0.96 -2.27 2.25 -0.00 -1.42 -2.92 115.31 111.55 1k2h h LEU 37 Ca -0.03 -0.55 -0.01 0.00 -0.00 0.00 0.00 57.88 57.29 1k2h h LEU 37 Cb 0.28 -0.28 -0.00 0.00 -0.00 0.00 0.00 40.66 40.66 1k2h h LEU 37 CO 0.05 1.35 -0.04 0.06 -0.00 0.00 0.00 178.44 179.85 1k2h h GLN 38 N 0.62 0.00 -0.23 1.13 -0.00 -1.02 -0.16 115.11 115.45 1k2h h GLN 38 Ca -0.01 0.00 -0.21 0.00 -0.00 0.00 0.00 58.65 58.44 1k2h h GLN 38 Cb 1.24 0.00 0.01 0.00 -0.00 0.00 0.00 27.48 28.73 1k2h h GLN 38 CO 0.14 0.04 -0.66 1.15 -0.00 0.00 0.00 178.83 179.50 1k2h h THR 39 N 0.00 1.27 -0.00 1.86 2.02 -1.16 -3.15 112.91 113.75 1k2h h THR 39 Ca -0.00 -1.85 0.00 0.00 0.77 0.00 0.00 66.41 65.33 1k2h h THR 39 Cb 0.21 1.79 0.00 0.00 -1.74 0.00 0.00 68.15 68.41 1k2h h THR 39 CO 0.01 0.60 -0.40 -1.84 0.37 0.00 0.00 175.52 174.25 1k2h n GLU 40 N -3.97 0.48 -1.62 6.66 0.28 -0.79 -4.01 120.64 117.67 1k2h n GLU 40 Ca -0.06 -0.29 -0.33 0.00 -0.16 0.00 0.00 57.16 56.31 1k2h n GLU 40 Cb 0.69 -1.49 0.06 0.00 1.43 0.00 0.00 31.44 32.12 1k2h n GLU 40 CO 0.00 0.00 0.00 1.28 -0.16 0.00 0.00 177.13 178.25 1k2h n LEU 41 N -1.00 7.01 -0.38 -1.84 4.77 -0.14 -4.69 117.00 120.74 1k2h n LEU 41 Ca 0.09 -4.52 -0.02 0.00 -0.03 0.00 0.00 56.01 51.53 1k2h n LEU 41 Cb 0.35 -0.85 0.11 0.00 -2.33 0.00 0.00 43.42 40.70 1k2h n LEU 41 CO 0.30 1.68 1.30 0.28 -1.33 0.00 0.00 177.39 179.62 1k2h h SER 42 N 2.23 1.15 -0.07 -1.43 0.02 -1.70 -1.54 113.55 112.23 1k2h h SER 42 Ca 0.54 -0.03 0.02 0.00 -0.84 0.00 0.00 61.79 61.48 1k2h h SER 42 Cb 0.82 -0.29 -0.00 0.00 0.14 0.00 0.00 62.40 63.07 1k2h h SER 42 CO 1.38 0.83 0.09 0.77 -1.14 0.00 0.00 176.83 178.76 1k2h h SER 43 N 1.36 0.00 0.00 3.07 4.64 -1.93 0.19 113.55 120.88 1k2h h SER 43 Ca 0.37 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.69 1k2h h SER 43 Cb -0.16 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 61.93 1k2h h SER 43 CO -0.08 0.00 -0.00 0.15 -0.87 0.00 0.00 176.83 176.03 1k2h h PHE 44 N 0.00 0.00 0.00 4.77 3.57 -1.62 1.35 116.94 125.01 1k2h h PHE 44 Ca 0.03 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.53 1k2h h PHE 44 Cb 0.22 0.00 0.00 0.00 2.79 0.00 0.00 35.95 38.96 1k2h h PHE 44 CO 0.00 0.00 0.00 1.28 -2.23 0.00 0.00 178.31 177.36 1k2h n LEU 45 N -3.61 0.00 -0.37 0.59 4.77 0.67 -3.49 117.00 115.56 1k2h n LEU 45 Ca -0.03 0.46 -0.02 0.00 -0.03 0.00 0.00 56.01 56.39 1k2h n LEU 45 Cb 0.08 -0.46 0.12 0.00 -2.33 0.00 0.00 43.42 40.83 1k2h n LEU 45 CO 0.25 -0.04 1.29 0.44 -1.33 0.00 0.00 177.39 178.00 1k2h h ASP 46 N 0.00 1.15 -1.21 -1.43 3.32 0.17 -3.39 116.42 115.03 1k2h h ASP 46 Ca 0.00 -0.03 -0.20 0.00 0.02 0.00 0.00 57.03 56.82 1k2h h ASP 46 Cb 0.41 -0.29 -0.20 0.00 0.22 0.00 0.00 39.33 39.48 1k2h h ASP 46 CO 0.00 0.83 -0.55 0.54 -1.72 0.00 0.00 179.24 178.34 1k2h s VAL 47 N -6.10 -0.81 -0.06 -1.35 0.11 -1.23 -5.11 120.40 105.85 1k2h s VAL 47 Ca -0.13 -1.00 -0.30 0.00 -2.93 0.00 0.00 61.98 57.63 1k2h s VAL 47 Cb 0.18 -0.18 -0.05 0.00 -1.53 0.00 0.00 36.38 34.81 1k2h s VAL 47 CO 0.82 -0.17 1.49 0.00 -3.33 0.00 0.00 175.10 173.90 1k2h s GLN 48 N 0.99 4.22 -0.22 1.54 -2.07 -1.25 -4.20 119.66 118.67 1k2h s GLN 48 Ca 0.27 2.00 -0.11 0.00 -1.82 0.00 0.00 55.36 55.70 1k2h s GLN 48 Cb -0.01 -3.80 -0.09 0.00 -1.09 0.00 0.00 33.01 28.02 1k2h s GLN 48 CO -0.07 -0.73 -0.29 1.63 -1.32 0.00 0.00 175.29 174.51 1k2h n LYS 49 N 6.43 0.47 -3.43 9.60 5.02 1.32 -4.88 118.16 132.70 1k2h n LYS 49 Ca 0.15 0.21 -0.44 0.00 -2.02 0.00 0.00 58.31 56.21 1k2h n LYS 49 Cb 0.43 -1.29 -0.07 0.00 -0.02 0.00 0.00 35.03 34.08 1k2h n LYS 49 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1k2h s ASP 50 N -6.96 6.00 0.42 4.39 1.01 -1.17 -4.89 116.67 115.46 1k2h s ASP 50 Ca -0.31 -1.62 0.26 0.00 0.71 0.00 0.00 52.55 51.59 1k2h s ASP 50 Cb 0.12 -2.13 0.70 0.00 1.01 0.00 0.00 42.92 42.62 1k2h s ASP 50 CO 0.39 -0.71 1.73 0.00 0.21 0.00 0.00 175.17 176.79 1k2h h ALA 51 N 8.69 1.00 -0.27 5.23 0.00 -1.90 -3.11 119.26 128.90 1k2h h ALA 51 Ca -0.27 0.00 -0.19 0.00 0.00 0.00 0.00 54.91 54.45 1k2h h ALA 51 Cb 1.10 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.89 1k2h h ALA 51 CO 0.91 0.00 -0.58 0.22 0.00 0.00 0.00 179.25 179.80 1k2h h ASP 52 N 0.00 0.98 -0.04 0.00 1.82 -1.98 -1.50 116.42 115.71 1k2h h ASP 52 Ca 0.00 -0.55 -0.01 0.00 -0.39 0.00 0.00 57.03 56.09 1k2h h ASP 52 Cb 0.80 -0.28 -0.00 0.00 0.68 0.00 0.00 39.33 40.53 1k2h h ASP 52 CO 0.00 1.35 -0.00 0.00 -1.61 0.00 0.00 179.24 178.97 1k2h h ALA 53 N 0.66 0.05 -1.01 -0.78 0.00 -1.89 -1.43 119.26 114.87 1k2h h ALA 53 Ca 0.01 -0.17 0.02 0.00 0.00 0.00 0.00 54.91 54.76 1k2h h ALA 53 Cb 1.19 -0.01 -0.05 0.00 0.00 0.00 0.00 17.79 18.92 1k2h h ALA 53 CO 0.13 -0.27 0.66 0.28 0.00 0.00 0.00 179.25 180.05 1k2h h VAL 54 N -0.24 1.24 -0.94 0.00 2.07 -1.59 -2.01 116.25 114.77 1k2h h VAL 54 Ca 0.01 -0.46 -0.01 0.00 0.82 0.00 0.00 66.70 67.06 1k2h h VAL 54 Cb 0.34 -0.22 -0.05 0.00 -1.52 0.00 0.00 31.29 29.85 1k2h h VAL 54 CO 0.00 0.24 0.56 0.44 0.02 0.00 0.00 177.57 178.84 1k2h h ASP 55 N 1.34 1.14 -0.53 0.57 3.32 -1.06 -2.40 116.42 118.80 1k2h h ASP 55 Ca 0.38 -0.07 -0.08 0.00 0.02 0.00 0.00 57.03 57.27 1k2h h ASP 55 Cb -0.12 -0.29 -0.02 0.00 0.22 0.00 0.00 39.33 39.12 1k2h h ASP 55 CO -0.09 0.88 0.02 0.50 -1.72 0.00 0.00 179.24 178.83 1k2h h LYS 56 N 1.30 0.92 -0.82 3.56 3.64 -0.54 -2.95 116.57 121.69 1k2h h LYS 56 Ca 0.34 -0.28 0.00 0.00 -1.27 0.00 0.00 60.65 59.44 1k2h h LYS 56 Cb -0.04 -0.09 -0.04 0.00 -0.41 0.00 0.00 32.23 31.65 1k2h h LYS 56 CO -0.06 0.93 0.51 0.82 -2.27 0.00 0.00 179.45 179.38 1k2h h ILE 57 N 0.79 1.22 0.00 2.00 2.04 -1.07 -1.09 117.51 121.40 1k2h h ILE 57 Ca 0.15 -0.45 -0.01 0.00 1.00 0.00 0.00 64.86 65.56 1k2h h ILE 57 Cb 0.50 0.05 -0.00 0.00 -0.74 0.00 0.00 36.82 36.63 1k2h h ILE 57 CO 0.02 0.22 -0.03 0.24 0.00 0.00 0.00 178.15 178.60 1k2h h MET 58 N 1.11 0.00 -0.89 2.37 2.86 -1.28 -2.15 114.93 116.96 1k2h h MET 58 Ca 0.30 0.00 -0.02 0.00 -2.06 0.00 0.00 59.70 57.92 1k2h h MET 58 Cb -0.08 0.00 -0.04 0.00 0.06 0.00 0.00 31.60 31.54 1k2h h MET 58 CO -0.06 0.03 0.48 -0.22 1.06 0.00 0.00 176.91 178.21 1k2h h LYS 59 N 0.00 1.24 -0.24 1.72 3.64 -1.06 -1.74 116.57 120.13 1k2h h LYS 59 Ca -0.00 -0.15 -0.14 0.00 -1.27 0.00 0.00 60.65 59.09 1k2h h LYS 59 Cb 0.07 -0.24 -0.01 0.00 -0.41 0.00 0.00 32.23 31.63 1k2h h LYS 59 CO 0.00 0.91 -0.44 0.93 -2.27 0.00 0.00 179.45 178.58 1k2h h GLU 60 N 1.25 0.60 0.00 1.90 3.07 -1.40 -1.34 114.58 118.65 1k2h h GLU 60 Ca 0.31 -0.32 -0.07 0.00 -0.50 0.00 0.00 59.36 58.78 1k2h h GLU 60 Cb 0.03 0.02 -0.01 0.00 -0.84 0.00 0.00 28.75 27.95 1k2h h GLU 60 CO -0.05 0.92 -0.35 -0.07 -1.40 0.00 0.00 179.01 178.06 1k2h h LEU 61 N 0.48 0.00 0.00 1.33 3.38 -1.48 -3.17 115.31 115.86 1k2h h LEU 61 Ca 0.03 0.00 -0.29 0.00 0.09 0.00 0.00 57.88 57.71 1k2h h LEU 61 Cb 0.96 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.66 1k2h h LEU 61 CO 0.09 0.35 -1.85 0.47 0.09 0.00 0.00 178.44 177.58 1k2h n ASP 62 N -3.32 0.64 0.04 -0.43 8.00 -0.68 -0.31 116.55 120.48 1k2h n ASP 62 Ca 0.01 0.30 -0.05 0.00 0.71 0.00 0.00 54.79 55.76 1k2h n ASP 62 Cb 0.58 0.27 0.14 0.00 -0.02 0.00 0.00 41.12 42.09 1k2h n ASP 62 CO 0.00 0.00 0.00 1.05 -0.39 0.00 0.00 177.20 177.86 1k2h h GLU 63 N 0.00 0.41 -0.64 -1.24 4.11 -1.31 -3.36 114.58 112.55 1k2h h GLU 63 Ca -0.33 -0.21 -0.31 0.00 0.07 0.00 0.00 59.36 58.57 1k2h h GLU 63 Cb 2.01 0.01 -0.26 0.00 0.50 0.00 0.00 28.75 31.00 1k2h h GLU 63 CO 0.06 0.78 -0.75 0.09 0.07 0.00 0.00 179.01 179.26 1k2h n ASN 64 N -4.00 -0.65 -0.20 3.06 5.03 -1.20 -4.94 115.26 112.36 1k2h n ASN 64 Ca -0.02 -2.93 0.30 0.00 0.87 0.00 0.00 54.58 52.80 1k2h n ASN 64 Cb 0.52 0.54 0.73 0.00 -1.02 0.00 0.00 39.78 40.55 1k2h n ASN 64 CO 0.00 0.00 0.00 1.23 -1.83 0.00 0.00 177.26 176.66 1k2h h GLY 65 N 2.69 0.00 -0.07 7.41 0.00 -0.82 2.44 103.07 114.71 1k2h h GLY 65 Ca -0.12 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.21 1k2h h GLY 65 CO 0.23 0.00 0.00 2.09 0.00 0.00 0.00 176.54 178.86 1k2h n ASP 66 N -4.16 1.07 -3.28 0.19 5.75 -1.26 -2.65 116.55 112.21 1k2h n ASP 66 Ca 0.20 -1.38 0.00 0.00 -0.01 0.00 0.00 54.79 53.60 1k2h n ASP 66 Cb 1.03 -0.01 0.00 0.00 -1.03 0.00 0.00 41.12 41.11 1k2h n ASP 66 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1k2h n GLY 67 N 1.12 -0.66 3.13 6.12 0.00 0.82 -4.83 105.19 110.89 1k2h n GLY 67 Ca 0.20 -1.41 -0.08 0.00 0.00 0.00 0.00 46.02 44.74 1k2h n GLY 67 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1k2h s GLU 68 N 0.00 0.68 0.15 1.61 8.01 -1.26 -3.20 118.70 124.69 1k2h s GLU 68 Ca 0.00 -1.10 0.05 0.00 0.01 0.00 0.00 54.97 53.93 1k2h s GLU 68 Cb 0.00 0.25 -0.04 0.00 -4.31 0.00 0.00 34.13 30.03 1k2h s GLU 68 CO 0.00 -0.16 -0.11 0.14 0.01 0.00 0.00 175.26 175.14 1k2h s VAL 69 N -3.79 1.24 0.00 2.63 -7.23 -0.98 -4.75 120.40 107.53 1k2h s VAL 69 Ca 0.05 -2.07 0.00 0.00 -1.81 0.00 0.00 61.98 58.15 1k2h s VAL 69 Cb 0.06 -1.86 0.00 0.00 0.56 0.00 0.00 36.38 35.14 1k2h s VAL 69 CO -0.10 -0.72 0.00 -0.67 -0.31 0.00 0.00 175.10 173.30 1k2h n ASP 70 N -0.20 1.27 -0.14 4.85 -0.08 -1.26 -2.08 116.55 118.91 1k2h n ASP 70 Ca -0.10 -0.03 -0.09 0.00 -1.51 0.00 0.00 54.79 53.07 1k2h n ASP 70 Cb 0.60 0.00 -0.00 0.00 2.34 0.00 0.00 41.12 44.06 1k2h n ASP 70 CO 0.00 0.00 0.00 2.19 0.12 0.00 0.00 177.20 179.51 1k2h h PHE 71 N 0.03 0.60 0.00 -0.67 -0.00 -1.94 0.47 116.94 115.43 1k2h h PHE 71 Ca 0.00 -0.03 -0.08 0.00 -0.00 0.00 0.00 57.97 57.86 1k2h h PHE 71 Cb 0.00 -0.19 -0.01 0.00 -0.00 0.00 0.00 35.95 35.75 1k2h h PHE 71 CO 0.00 0.49 -0.39 0.37 -0.00 0.00 0.00 178.31 178.78 1k2h h GLN 72 N 0.54 0.00 0.25 6.09 4.15 -1.98 -1.08 115.11 123.08 1k2h h GLN 72 Ca 0.14 0.00 -0.34 0.00 0.77 0.00 0.00 58.65 59.22 1k2h h GLN 72 Cb 0.11 0.00 0.04 0.00 0.21 0.00 0.00 27.48 27.83 1k2h h GLN 72 CO -0.02 0.39 -1.52 0.93 -1.93 0.00 0.00 178.83 176.68 1k2h h GLU 73 N 0.00 0.53 -0.31 1.69 5.08 -1.85 -1.84 114.58 117.87 1k2h h GLU 73 Ca -0.00 -0.90 -0.16 0.00 -1.00 0.00 0.00 59.36 57.29 1k2h h GLU 73 Cb 0.80 0.34 -0.01 0.00 0.50 0.00 0.00 28.75 30.38 1k2h h GLU 73 CO 0.05 1.43 -0.45 0.35 -1.00 0.00 0.00 179.01 179.40 1k2h h PHE 74 N 0.14 0.98 -0.13 4.33 3.57 -0.85 -2.15 116.94 122.84 1k2h h PHE 74 Ca -0.27 -0.31 -0.23 0.00 3.53 0.00 0.00 57.97 60.69 1k2h h PHE 74 Cb 2.17 -0.20 0.01 0.00 2.79 0.00 0.00 35.95 40.72 1k2h h PHE 74 CO 0.13 1.10 -0.81 0.28 -2.23 0.00 0.00 178.31 176.78 1k2h h VAL 75 N 0.65 1.28 -0.28 1.41 2.07 -1.28 -2.20 116.25 117.90 1k2h h VAL 75 Ca 0.04 -2.01 -0.15 0.00 0.82 0.00 0.00 66.70 65.40 1k2h h VAL 75 Cb 1.02 2.05 -0.00 0.00 -1.52 0.00 0.00 31.29 32.84 1k2h h VAL 75 CO 0.10 0.63 -0.42 0.58 0.02 0.00 0.00 177.57 178.48 1k2h h VAL 76 N 0.50 1.29 -0.16 2.57 2.07 -1.35 -2.14 116.25 119.04 1k2h h VAL 76 Ca -0.06 -1.61 -0.16 0.00 0.82 0.00 0.00 66.70 65.68 1k2h h VAL 76 Cb 1.44 1.65 -0.01 0.00 -1.52 0.00 0.00 31.29 32.86 1k2h h VAL 76 CO 0.17 0.52 -0.58 -0.07 0.02 0.00 0.00 177.57 177.62 1k2h h LEU 77 N 0.52 0.57 -0.38 2.57 4.07 -1.47 -2.32 115.31 118.88 1k2h h LEU 77 Ca 0.03 -0.31 -0.16 0.00 0.08 0.00 0.00 57.88 57.51 1k2h h LEU 77 Cb 1.02 -0.16 -0.01 0.00 1.08 0.00 0.00 40.66 42.59 1k2h h LEU 77 CO 0.10 1.02 -0.40 0.58 -1.08 0.00 0.00 178.44 178.66 1k2h h VAL 78 N 0.38 1.27 -0.44 1.22 2.07 -1.37 -0.77 116.25 118.61 1k2h h VAL 78 Ca 0.00 -1.57 -0.09 0.00 0.82 0.00 0.00 66.70 65.86 1k2h h VAL 78 Cb 1.12 1.41 -0.02 0.00 -1.52 0.00 0.00 31.29 32.28 1k2h h VAL 78 CO 0.11 0.53 -0.10 0.00 0.02 0.00 0.00 177.57 178.12 1k2h h ALA 79 N 0.76 1.00 -0.30 1.67 0.00 -1.38 -1.61 119.26 119.40 1k2h h ALA 79 Ca 0.06 -0.31 -0.05 0.00 0.00 0.00 0.00 54.91 54.60 1k2h h ALA 79 Cb 1.00 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.59 1k2h h ALA 79 CO 0.10 0.60 -0.04 0.00 0.00 0.00 0.00 179.25 179.91 1k2h h ALA 80 N 1.18 1.38 -0.48 0.00 0.00 -1.18 -2.49 119.26 117.67 1k2h h ALA 80 Ca 0.12 -0.21 -0.13 0.00 0.00 0.00 0.00 54.91 54.69 1k2h h ALA 80 Cb 0.58 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 1k2h h ALA 80 CO 0.04 0.43 -0.22 1.25 0.00 0.00 0.00 179.25 180.75 1k2h h LEU 81 N 0.45 1.03 -1.02 0.00 5.85 -0.20 -2.86 115.31 118.55 1k2h h LEU 81 Ca 0.09 -0.40 -0.05 0.00 0.84 0.00 0.00 57.88 58.36 1k2h h LEU 81 Cb 0.35 -0.28 -0.02 0.00 0.37 0.00 0.00 40.66 41.08 1k2h h LEU 81 CO 0.01 1.20 0.10 0.74 -0.34 0.00 0.00 178.44 180.15 1k2h h THR 82 N 0.86 1.23 -0.91 1.05 2.02 -0.97 -0.46 112.91 115.73 1k2h h THR 82 Ca 0.11 -0.84 0.26 0.00 0.77 0.00 0.00 66.41 66.71 1k2h h THR 82 Cb 0.80 0.72 -0.04 0.00 -1.74 0.00 0.00 68.15 67.90 1k2h h THR 82 CO 0.07 0.31 0.65 1.62 0.37 0.00 0.00 175.52 178.53 1k2h h VAL 83 N 0.77 0.55 -0.77 3.16 3.04 -1.22 2.66 116.25 124.45 1k2h h VAL 83 Ca 0.17 -0.01 0.01 0.00 -1.01 0.00 0.00 66.70 65.85 1k2h h VAL 83 Cb 0.32 0.52 -0.04 0.00 -2.01 0.00 0.00 31.29 30.09 1k2h h VAL 83 CO 0.00 0.01 0.51 0.00 -1.01 0.00 0.00 177.57 177.08 1k2h h ALA 84 N 1.55 1.45 -1.82 3.17 0.00 -1.09 -3.24 119.26 119.28 1k2h h ALA 84 Ca 0.43 -0.05 -0.46 0.00 0.00 0.00 0.00 54.91 54.83 1k2h h ALA 84 Cb 1.69 -0.31 -0.40 0.00 0.00 0.00 0.00 17.79 18.77 1k2h h ALA 84 CO -0.02 0.51 -1.19 0.00 0.00 0.00 0.00 179.25 178.54 1k2h h ASN 86 N 3.00 0.00 -1.67 0.00 -1.24 0.21 -3.46 115.58 112.42 1k2h h ASN 86 Ca 0.06 0.00 0.14 0.00 0.71 0.00 0.00 56.30 57.21 1k2h h ASN 86 Cb 1.01 0.00 -0.05 0.00 0.73 0.00 0.00 38.32 40.01 1k2h h ASN 86 CO 0.50 0.00 -0.29 -3.20 -1.29 0.00 0.00 177.43 173.15 1k2h n ASN 87 N -2.59 -3.15 0.00 1.15 5.15 -1.26 -5.02 115.26 109.54 1k2h n ASN 87 Ca -0.01 0.33 0.00 0.00 -0.60 0.00 0.00 54.58 54.30 1k2h n ASN 87 Cb 0.58 -2.45 0.00 0.00 -0.53 0.00 0.00 39.78 37.38 1k2h n ASN 87 CO 0.00 0.00 0.00 0.33 1.40 0.00 0.00 177.26 178.99 1k2h n PHE 88 N -2.56 -1.19 0.07 1.20 7.35 -1.26 -4.94 117.46 116.14 1k2h n PHE 88 Ca -0.01 0.01 0.08 0.00 -0.76 0.00 0.00 57.45 56.77 1k2h n PHE 88 Cb 0.57 0.25 -0.04 0.00 0.35 0.00 0.00 39.48 40.61 1k2h n PHE 88 CO 0.00 0.00 0.00 0.34 -0.76 0.00 0.00 176.76 176.34 1k2h n PHE 89 N -2.20 0.89 -1.75 -5.13 -0.00 -1.26 -4.30 117.46 103.71 1k2h n PHE 89 Ca 0.00 0.27 -0.35 0.00 -0.00 0.00 0.00 57.45 57.37 1k2h n PHE 89 Cb 0.00 -0.97 -0.03 0.00 -0.00 0.00 0.00 39.48 38.49 1k2h n PHE 89 CO 0.00 0.00 0.00 0.91 -0.00 0.00 0.00 176.76 177.67 1k2h n TRP 90 N -2.71 2.20 -2.12 -5.13 8.01 -1.26 -4.97 117.44 111.46 1k2h n TRP 90 Ca -0.04 -2.57 -0.41 0.00 -1.31 0.00 0.00 57.50 53.17 1k2h n TRP 90 Cb 0.65 -1.79 -0.02 0.00 -2.01 0.00 0.00 31.31 28.14 1k2h n TRP 90 CO 0.00 0.00 0.00 -1.83 -1.01 0.00 0.00 177.69 174.85 1k2h s GLU 91 N -0.81 4.36 0.69 -0.99 -1.05 -1.26 -4.98 118.70 114.66 1k2h s GLU 91 Ca 0.58 2.21 -0.13 0.00 -0.15 0.00 0.00 54.97 57.47 1k2h s GLU 91 Cb 0.24 -3.08 0.02 0.00 -0.44 0.00 0.00 34.13 30.87 1k2h s GLU 91 CO -0.12 -0.19 1.10 0.54 0.95 0.00 0.00 175.26 177.54 1k2h s ASN 92 N -0.43 4.97 0.00 0.83 4.22 -1.26 -5.14 114.94 118.13 1k2h s ASN 92 Ca 0.49 1.92 0.00 0.00 -2.14 0.00 0.00 52.86 53.14 1k2h s ASN 92 Cb -0.40 -2.54 0.00 0.00 1.28 0.00 0.00 41.25 39.60 1k2h s ASN 92 CO 0.52 -1.72 0.00 -0.24 -2.04 0.00 0.00 177.10 173.61